N,2-diphenyl-N-(4-phenylphenyl)naphtho[1,2-e][1,3]benzoxazol-8-amine

C39H26N2O — CID 171724750

IUPACN,2-diphenyl-N-(4-phenylphenyl)naphtho[1,2-e][1,3]benzoxazol-8-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cccc4c3ccc3ccc5oc(-c6ccccc6)nc5c34)cc2)cc1
InChIInChI=1S/C39H26N2O/c1-4-11-27(12-5-1)28-19-23-32(24-20-28)41(31-15-8-3-9-16-31)35-18-10-17-34-33(35)25-21-29-22-26-36-38(37(29)34)40-39(42-36)30-13-6-2-7-14-30/h1-26H
InChIKeyODSZOTPRUMXFBV-UHFFFAOYSA-N
MW538.65 g/mol
LogP10.94
Rot. Bonds5

About N,2-diphenyl-N-(4-phenylphenyl)naphtho[1,2-e][1,3]benzoxazol-8-amine

N,2-diphenyl-N-(4-phenylphenyl)naphtho[1,2-e][1,3]benzoxazol-8-amine (PubChem CID 171724750) has the molecular formula C39H26N2O and a molecular weight of 538.65 g/mol. Its IUPAC name is N,2-diphenyl-N-(4-phenylphenyl)naphtho[1,2-e][1,3]benzoxazol-8-amine.

Molecular Properties

Compound NameN,2-diphenyl-N-(4-phenylphenyl)naphtho[1,2-e][1,3]benzoxazol-8-amine
PubChem CID171724750
Molecular FormulaC39H26N2O
Molecular Weight538.65 g/mol
Exact Mass538.20
IUPAC NameN,2-diphenyl-N-(4-phenylphenyl)naphtho[1,2-e][1,3]benzoxazol-8-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cccc4c3ccc3ccc5oc(-c6ccccc6)nc5c34)cc2)cc1
InChIInChI=1S/C39H26N2O/c1-4-11-27(12-5-1)28-19-23-32(24-20-28)41(31-15-8-3-9-16-31)35-18-10-17-34-33(35)25-21-29-22-26-36-38(37(29)34)40-39(42-36)30-13-6-2-7-14-30/h1-26H
InChIKeyODSZOTPRUMXFBV-UHFFFAOYSA-N
XLogP10.94
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.65
LogP ≤ 510.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-naphthalen-1-yl-2,7-diphenyl-N-(4-phenylphenyl)naphtho[1,2-e][1,3]benzoxazol-10-amine
CID 177112477
N-(4-naphthalen-2-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-7-amine
CID 170395135
N-(4-dibenzofuran-1-ylphenyl)-2-phenyl-N-(2-phenylphenyl)naphtho[1,2-e][1,3]benzoxazol-10-amine
CID 177119483
N-(4-dibenzofuran-2-ylphenyl)-N,2-diphenylnaphtho[1,2-e][1,3]benzoxazol-10-amine
CID 177119498
N-(3-dibenzofuran-2-ylphenyl)-N,2-diphenylnaphtho[1,2-e][1,3]benzoxazol-9-amine
CID 174319290
N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-8-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 167124000
N-(3-naphthalen-1-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-7-amine
CID 167124876
N,2,7-triphenyl-N-(4-phenylphenyl)naphtho[1,2-e][1,3]benzoxazol-10-amine
CID 177112601
8-N-naphthalen-2-yl-6-N,8-N,2-triphenyl-6-N-(4-phenylphenyl)benzo[e][1,3]benzoxazole-6,8-diamine
CID 170247986
N-[4-([1]benzofuro[3,2-e][1,3]benzoxazol-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 170263011
1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]-3-N-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-8-yl)benzene-1,3-diamine
CID 171416971
N,4-diphenyl-N-[4-(2-phenylbenzo[e][1,3]benzoxazol-8-yl)phenyl]aniline
CID 170026606

Frequently Asked Questions

What is the IUPAC name of N,2-diphenyl-N-(4-phenylphenyl)naphtho[1,2-e][1,3]benzoxazol-8-amine?
The IUPAC name of N,2-diphenyl-N-(4-phenylphenyl)naphtho[1,2-e][1,3]benzoxazol-8-amine (CID 171724750) is N,2-diphenyl-N-(4-phenylphenyl)naphtho[1,2-e][1,3]benzoxazol-8-amine.
What is the SMILES notation for N,2-diphenyl-N-(4-phenylphenyl)naphtho[1,2-e][1,3]benzoxazol-8-amine?
The canonical SMILES for N,2-diphenyl-N-(4-phenylphenyl)naphtho[1,2-e][1,3]benzoxazol-8-amine is c1ccc(-c2ccc(N(c3ccccc3)c3cccc4c3ccc3ccc5oc(-c6ccccc6)nc5c34)cc2)cc1.
What is the InChIKey of N,2-diphenyl-N-(4-phenylphenyl)naphtho[1,2-e][1,3]benzoxazol-8-amine?
The InChIKey is ODSZOTPRUMXFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H26N2O/c1-4-11-27(12-5-1)28-19-23-32(24-20-28)41(31-15-8-3-9-16-31)35-18-10-17-34-33(35)25-21-29-22-26-36-38(37(29)34)40-39(42-36)30-13-6-2-7-14-30/h1-26H.
What are the key properties of N,2-diphenyl-N-(4-phenylphenyl)naphtho[1,2-e][1,3]benzoxazol-8-amine?
N,2-diphenyl-N-(4-phenylphenyl)naphtho[1,2-e][1,3]benzoxazol-8-amine has a molecular weight of 538.65 g/mol, XLogP of 10.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diphenyl-N-(4-phenylphenyl)naphtho[1,2-e][1,3]benzoxazol-8-amine is sourced from PubChem (CID 171724750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).